azane;biphenylene

C12H11N — CID 21257460

IUPACazane;biphenylene
SMILESN.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.H3N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;/h1-8H;1H3
InChIKeyPUVYYHLAJRLDBH-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.50
Rot. Bonds

About azane;biphenylene

azane;biphenylene (PubChem CID 21257460) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is azane;biphenylene.

Molecular Properties

Compound Nameazane;biphenylene
PubChem CID21257460
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Nameazane;biphenylene
SMILESN.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.H3N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;/h1-8H;1H3
InChIKeyPUVYYHLAJRLDBH-UHFFFAOYSA-N
XLogP3.50
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of azane;biphenylene?
The IUPAC name of azane;biphenylene (CID 21257460) is azane;biphenylene.
What is the SMILES notation for azane;biphenylene?
The canonical SMILES for azane;biphenylene is N.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of azane;biphenylene?
The InChIKey is PUVYYHLAJRLDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.H3N/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;/h1-8H;1H3.
What are the key properties of azane;biphenylene?
azane;biphenylene has a molecular weight of 169.23 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;biphenylene is sourced from PubChem (CID 21257460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).